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Diethylmalonic acid, 2,2,3,3,4,4,5,5-octafluoropentyl heptyl ester

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Diethylmalonic acid, 2,2,3,3,4,4,5,5-octafluoropentyl heptyl ester
SpectraBase Compound ID PX1JnSwBKT
InChI InChI=1S/C19H28F8O4/c1-4-7-8-9-10-11-30-14(28)16(5-2,6-3)15(29)31-12-17(22,23)19(26,27)18(24,25)13(20)21/h13H,4-12H2,1-3H3
InChIKey RKWUIKQTYDSOFR-UHFFFAOYSA-N
Mol Weight 472.42 g/mol
Molecular Formula C19H28F8O4
Exact Mass 472.185985 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID grdzr3ObvC
Name Diethylmalonic acid, 2,2,3,3,4,4,5,5-octafluoropentyl heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.185984682 u
Formula C19H28F8O4
InChI InChI=1S/C19H28F8O4/c1-4-7-8-9-10-11-30-14(28)16(5-2,6-3)15(29)31-12-17(22,23)19(26,27)18(24,25)13(20)21/h13H,4-12H2,1-3H3
InChIKey RKWUIKQTYDSOFR-UHFFFAOYSA-N
Molecular Weight 472.416 g/mol
SMILES C(C(C(OCCCCCCC)=O)(CC)CC)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O